5-[[1-(2-nitrophenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[1-(2-nitrophenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[3-isopropoxy-1-(2-nitrophenyl)-3-oxo-propyl]sulfamoyl]benzoic acid CAS Name: 2-hydroxy-5-[[1-(2-nitrophenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid IUPAC Name: 2-hydroxy-5-[[1-(2-nitrophenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid Traditional Name: 2-hydroxy-5-[[3-isopropoxy-3-keto-1-(2-nitrophenyl)propyl]sulfamoyl]benzoic acid Formula: C19H20N2O9S MolecularWeight: 452.4351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C19H20N2O9S/c1-11(2)30-18(23)10-15(13-5-3-4-6-16(13)21(26)27)20-31(28,29)12-7-8-17(22)14(9-12)19(24)25/h3-9,11,15,20,22H,10H2,1-2H3,(H,24,25)